N-(3-acetylphenyl)-2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-(methylsulfanyl)butanamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-(methylsulfanyl)butanamide
N-(3-acetylphenyl)-2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-(methylsulfanyl)butanamide
Compound characteristics
| Compound ID: | 3359-0213 |
| Compound Name: | N-(3-acetylphenyl)-2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-(methylsulfanyl)butanamide |
| Molecular Weight: | 524.64 |
| Molecular Formula: | C31 H28 N2 O4 S |
| Smiles: | CC(c1cccc(c1)NC(C(CCSC)N1C(C2C(C3c4ccccc4C2c2ccccc23)C1=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8588 |
| logD: | 3.8584 |
| logSw: | -4.1295 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.176 |
| InChI Key: | HSDAGJFYJOYEFF-UHFFFAOYSA-N |